5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide

C12H18N4O3 — CID 107600048

IUPAC5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide
SMILESCOc1cc(C)nc(NC(=O)C2CCC(CN)O2)n1
InChIInChI=1S/C12H18N4O3/c1-7-5-10(18-2)15-12(14-7)16-11(17)9-4-3-8(6-13)19-9/h5,8-9H,3-4,6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyIJNMUFAZNXYUSG-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.24
Rot. Bonds4

About 5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide

5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide (PubChem CID 107600048) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide
PubChem CID107600048
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide
SMILESCOc1cc(C)nc(NC(=O)C2CCC(CN)O2)n1
InChIInChI=1S/C12H18N4O3/c1-7-5-10(18-2)15-12(14-7)16-11(17)9-4-3-8(6-13)19-9/h5,8-9H,3-4,6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyIJNMUFAZNXYUSG-UHFFFAOYSA-N
XLogP0.24
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107624816
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
(2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide
CID 120782760
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclopentane-1-carboxamide
CID 107600178
dimethyl 5-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylate;hydrochloride
CID 120782967
(2S,5R)-5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 120786966
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 107600138
(2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120783542
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
(2S,5R)-5-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 120783044
(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120783473

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide (CID 107600048) is 5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide is COc1cc(C)nc(NC(=O)C2CCC(CN)O2)n1.
What is the InChIKey of 5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide?
The InChIKey is IJNMUFAZNXYUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-5-10(18-2)15-12(14-7)16-11(17)9-4-3-8(6-13)19-9/h5,8-9H,3-4,6,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide?
5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 107600048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).